Substituents effect on the electronic structure, spectra and photochemistry of [Ru(NH3)(5)(Py-X)](2+) complexes

摘要

The diagrams of MLCT and d-d excited states of the complexes [Ru(NH3)(5)(py-X)](2+) are calculated using semiempirical CINDO/S method. Comparison of the relative energies of MLCT and d-d excited states leads to the understanding of the background of the rules, found earlier by Ford et al., that govern photochemical activity of the Ru(II) complexes under consideration. (C) 2003 Elsevier B.V. All rights reserved. [References: 19]